[CAS NO. 1373765-19-5] IPSU
PRODUCTS SPECIFICATIONS [1373765-19-5]
DESCRIPTION [1373765-19-5]
Overview
| MDL | - |
|---|---|
| Molecular Weight | 405.49 |
| Molecular Formula | C23H27N5O2 |
| SMILES | COC1=CC=NC(N(CC2)CCC2(C3=O)CCCN3CC4=CNC5=CC=CC=C54)=N1 |
1 Publications Citing Use of MCE
Summary
IPSU is a selective, orally available and brain penetrant OX2R antagonist with a pK i of 7.85.
IC50 & Target
pKi: 7.85 (OX2R), 6.29 (OX1R) [1]
In Vitro
Orexin receptor antagonists represent attractive targets for the development of drugs for the treatment of insomnia. IPSU binds rapidly and reaches equilibrium very quickly in binding and/or functional assays [2] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
IPSU has low blood clearance, shows high maximal blood exposure and AUC after oral dosing. It exhibits an acceptable absolute oral bioavailability and a brain/blood concentration ratio that indicated favorable brain penetration. IPSU increases sleep when dosed during the mouse active phase (lights off); IPSU induces sleep primarily by increasing NREM sleep. IPSU shows a fast onset of action, with a clear increase in total sleep time during the first hour afterdosing. The effect lasts 4-5 h, after which time the total sleep time per hour is the same as on vehicle day [1] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
| Powder | -20°C | 3 years |
|---|---|---|
| 4°C | 2 years | |
| In solvent | -80°C | 6 months |
| -20°C | 1 month |
Solvent & Solubility
DMSO : ≥ 30 mg/mL ( 73.98 mM )
* "≥" means soluble, but saturation unknown.
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 2.4662 mL | 12.3308 mL | 24.6615 mL |
| 5 mM | 0.4932 mL | 2.4662 mL | 4.9323 mL |
| 10 mM | 0.2466 mL | 1.2331 mL | 2.4662 mL |
References
- [1] Betschart C, et al. Identification of a novel series of orexin receptor antagonists with a distinct effect on sleeparchitecture for the treatment of insomnia. J Med Chem. 2013 Oct 10;56(19):7590-607.
- [2] Callander GE, et al. Kinetic properties of "dual" orexin receptor antagonists at OX1R and OX2R orexin receptors. Front Neurosci. 2013 Dec 3;7:230.
- [3] Hoyer D, et al. Distinct effects of IPSU and suvorexant on mouse sleep architecture.
